N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C18H36ClN3O — CID 119927916

IUPACN-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)NC2CCCC(C)C2C)CC1.Cl
InChIInChI=1S/C18H35N3O.ClH/c1-4-19-12-16-8-10-21(11-9-16)13-18(22)20-17-7-5-6-14(2)15(17)3;/h14-17,19H,4-13H2,1-3H3,(H,20,22);1H
InChIKeyKZQMGYWUFPWNHX-UHFFFAOYSA-N
MW345.96 g/mol
LogP2.67
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119927916) has the molecular formula C18H36ClN3O and a molecular weight of 345.96 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119927916
Molecular FormulaC18H36ClN3O
Molecular Weight345.96 g/mol
Exact Mass345.25
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)NC2CCCC(C)C2C)CC1.Cl
InChIInChI=1S/C18H35N3O.ClH/c1-4-19-12-16-8-10-21(11-9-16)13-18(22)20-17-7-5-6-14(2)15(17)3;/h14-17,19H,4-13H2,1-3H3,(H,20,22);1H
InChIKeyKZQMGYWUFPWNHX-UHFFFAOYSA-N
XLogP2.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.96
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55909529
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542887
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 11929363

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119927916) is N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CCNCC1CCN(CC(=O)NC2CCCC(C)C2C)CC1.Cl.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is KZQMGYWUFPWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.ClH/c1-4-19-12-16-8-10-21(11-9-16)13-18(22)20-17-7-5-6-14(2)15(17)3;/h14-17,19H,4-13H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 345.96 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119927916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).